Happy to see the fruits of Leon Schlosser’s research stay at the Digital Chemistry Laboratory published in @jacs.acspublications.org! 🎉

Glorius Group@gloriusgroup.bsky.social · 6mo ago

Thrilled to share our hybrid inverse design strategy for discovering organic photocatalysts, now published in @JACS: Accelerating EnT catalyst discovery by bridging generative modeling and experimental validation. 🔥💡 pubs.acs.org/doi/10.1021/...

My book chapter reviewing the use of ML to predict chemical reactivity is now published! 🎉 It explores how data-driven methods are transforming the field, with a focus on catalysis and the key challenges. Check it out: doi.org/10.1002/9783527847068.ch07 @valencekjell.com @dcl-ethz.bsky.social

We are recruiting a PhD student in machine learning for photocatalysis! In this project, we will collaborate with the group of Frank Glorius @gloriusgroup.bsky.social to develop predictive tools for energy-transfer-catalyzed photocycloadditions. Reposts appreciated! jobs.ethz.ch/job/view/JOP...

PhD position in machine learning for photocatalysis

jobs.ethz.ch

📣 We're thrilled to welcome two new members this May: 🧪 Hanwen, our first postdoctoral researcher! She will work on reactive machine learning potentials 🔬 Aline, our new doctoral student, focusing on hybrid models for molecular property prediction combining ML & classical descriptors

🚀 Looking for reaction conditions that work well for multiple substrates? CurryBO can help🍛 Now out on arXiv: arxiv.org/abs/2502.18966 A short explanation thread 👇

One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions

General parameters are highly desirable in the natural sciences - e.g., chemical reaction conditions that enable high yields across a range of related transformations. This has a significant practical...

arxiv.org

Digital Chemistry Laboratory is excited to be on BlueSky 👋 We are a research group at ETH Zurich led by @valencekjell.com that develops digital solutions to chemical problems in catalysis and molecular design 🖥️ 🧪 More about us: dcl.ethz.ch See you here for the news and research updates!

Homepage - DCL

dcl.ethz.ch